(2S)-N-[4-Cyano-3-(Trifluoromethyl)Phenyl]-3-[(4-Fluorophenyl)Sulfonyl]-2-Hydroxy-2-Methylpropanamide

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Properties Simple | Detailed

Formula C18H14F4N2O4S
IUPAC Name (2s)-n-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-propanamide
Molecular Mass 430.373 g·mol−1
Heat of Formation -1234.4 ± 16.7 kJ·mol−1
Dipole Moment 10.27 ± 1.08 D
Volume 445.8 Å 3
Surface Area 383.61 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-propanamide
  • (2s)-n-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-propionamide
  • (2s)-n-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
InChIKey LKJPYSCBVHEWIU-QGZVFWFLSA-N
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